3-[(2S)-butan-2-yl]-2-[(2R)-3-(2,6-dimethylphenoxy)-2-oxidanyl-propyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-[(2S)-butan-2-yl]-2-[(2R)-3-(2,6-dimethylphenoxy)-2-oxidanyl-propyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[(2R)-3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]sulfanyl-3-[(1S)-1-methylpropyl]quinazolin-4-one CAS Name: 3-[(2S)-butan-2-yl]-2-[[(2R)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]thio]-4-quinazolinone IUPAC Name: 3-[(2S)-butan-2-yl]-2-[(2R)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]sulfanylquinazolin-4-one Traditional Name: 2-[[(2R)-3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]thio]-3-[(1S)-1-methylpropyl]quinazolin-4-one Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(COC3=C(C=CC=C3C)C)O

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SC[C@@H](COC3=C(C=CC=C3C)C)O

InChI

InChI=1S/C23H28N2O3S/c1-5-17(4)25-22(27)19-11-6-7-12-20(19)24-23(25)29-14-18(26)13-28-21-15(2)9-8-10-16(21)3/h6-12,17-18,26H,5,13-14H2,1-4H3/t17-,18+/m0/s1